Tuning of retinal twisting in bacteriorhodopsin controls the directionality of the early photocycle steps

Journal of Physical Chemistry B

Volumn 109, Issue 31, 2005, Pages 14786-14788

  Bondar, Ana Nicoleta ^a   Fischer, Stefan ^a   Suhai, Sándor ^b   Smith, Jeremy C ^a  

^a UNIVERSITY OF HEIDELBERG   (Germany)

^b GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; ISOMERIZATION; OPTICAL PUMPING; PHASE TRANSITIONS; PROTONS; REACTION KINETICS;

BACK-ISOMERIZATION; BACTERIORHODOPSIN; PHOTOCYCLE; RETINAL TWISTING;

PIGMENTS;

BACTERIORHODOPSIN; RETINAL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ISOMERISM; PHOTOCHEMISTRY; TIME;

BACTERIORHODOPSINS; ISOMERISM; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOTOCHEMISTRY; RETINALDEHYDE; TIME FACTORS;

EID: 23844465277     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0531255     Document Type: Article

References (20)

1. Oesterhelt, D.; Stoeckenius, W. Proc. Nail Acad. Sci. U.S.A. 1973, 70, 2853-2857.
2. Bondar, A.-N.; Fischer, S.; Smith, J. C.; Elstner, M.; Suhai, S. J. Am. Chem. Soc. 2004, 126, 14668-14677.
3. Bondar, A.-N.; Elstner, M.; Suhai, S.; Smith, J. C.; Fischer, S. Structure 2004, 12, 1281-1288.
4. Elstner, M.; Porezaf, D.; Jungnickel, G.; Elner, J.; Haugk, M.; Frauenheim, T.; Suhai, S.; Seifert, G. Phys. Rev. B 1998, 58, 7260-7268.
5. Fischer, S.; Karplus, M. Chem. Phys. Lett. 1992, 194, 252-261.
6. Brooks, B. R.; Bruccoleri, R. E.; Olafson, B. D.; States, D. J.; Swiminatham, S.; Karplus, M. J. Comput. Chem. 1983, 4, 187-217.
7. Luecke, H.; Schobert, B.; Richter, H. T.; Cartailler, J. P.; Lanyi, J. K. J. Mol. Biol. 1999, 291, 899-911.
8. Tajkhorshid, E.; Baudry, J.; Schulten, K.; Suhai, S. Biophys. J. 2000, 78, 683-693.
9. Schobert, B.; Cupp-Vickery, J.; Hornak, V.; Smith, S. O.; Lanyi, J. K. J. Mol. Biol. 2002, 321, 715-726.
10. Matsui, Y.; Sakai, K.; Murakami, M.; Shiro, Y.; Adachi, S.; Okumura, H.; Kouyama, T. J. Mol. Biol. 2002, 324, 469-481.
11. Edman, K.; Royant, A.; Larsson, G.; Jacobson, F.; Taylor, T.; van der Sopel, D.; Landau, E. M.; Pebay-Peyroula, E.; Neutze, R. J. Biol. Chem. 2004, 279, 2147-2158.
12. Hayashi, S.; Tajkhorshid, E.; Schulten, K. Biophys. J. 2002, 83, 1281-1297.
13. Similar K-state models were obtained when we used the K-state crystal structure from ref 9 for the starting coordinates or when embedding the active site of ref 9 into the protein structure from ref 18 (as done for the K-state model depicted in Figure 2). The K-state model is further validated by our preliminary molecular dynamics calculations starting from the K-state structure of ref 9.
14. Birge, R. R.; Cooper, T. M.; Lawrence, A. F.; Masthay, M. B.; Zhang, C. F.; Zidovetzki, R. J. Am. Chem. Soc. 1991, 113, 4327-4328.
15. Hayashi, S.; Tajkhorshid, E.; Kandori, H.; Schulten, K. J. Am. Chem. Soc. 2004, 126, 10516-10517.
16. Kandori, H.; Belenky, M.; Herzfeld, J. Biochemistry 2002, 41, 6026-6031.
17. Ludman, K.; Gergely, C.; Váró, G. Biophys. J. 1998, 75, 3110-3119.
18. Edman, K.; Nollert, P.; Royant, A.; Belrhali, H.; Pebay-Peyroula, E.; Hajdu, J.; Neutze, R.; Landau, E. M. Nature 1999, 401, 822-826.
19. Zhou, H.; Tajkhorshid E.; Frauenheim T.; Suhai S.; Elstner M. Chem. Phys. 2002, 277, 91-103.
20. Tajkhorshid, E.; Paizs, B.; Suhai, S. J. Phys. Chem. B 1999, 103, 4518-4527.